1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-bromanyl-2-fluoranyl-phenyl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-bromanyl-2-fluoranyl-phenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-bromo-2-fluoro-phenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-bromo-2-fluorophenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-bromo-2-fluorophenyl)methyl]thiourea Traditional Name: 1-(5-bromo-2-fluoro-benzyl)-3-piperonyl-thiourea Formula: C16H14BrFN2O2S MolecularWeight: 397.261963

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCC3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C16H14BrFN2O2S/c17-12-2-3-13(18)11(6-12)8-20-16(23)19-7-10-1-4-14-15(5-10)22-9-21-14/h1-6H,7-9H2,(H2,19,20,23)